3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine

C7H5F6N3S — CID 106215085

IUPAC3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H5F6N3S/c8-6(9,10)3-14-4(17-16-3)15-5(1-2-5)7(11,12)13/h1-2H2,(H,14,15,16)
InChIKeyDNKXBQIGJWUNSC-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.06
Rot. Bonds2

About 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine

3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (PubChem CID 106215085) has the molecular formula C7H5F6N3S and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
PubChem CID106215085
Molecular FormulaC7H5F6N3S
Molecular Weight277.19 g/mol
Exact Mass277.01
IUPAC Name3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H5F6N3S/c8-6(9,10)3-14-4(17-16-3)15-5(1-2-5)7(11,12)13/h1-2H2,(H,14,15,16)
InChIKeyDNKXBQIGJWUNSC-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (CID 106215085) is 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DNKXBQIGJWUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N3S/c8-6(9,10)3-14-4(17-16-3)15-5(1-2-5)7(11,12)13/h1-2H2,(H,14,15,16).
What are the key properties of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 277.19 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106215085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).